CAS 82-28-0|1-amino-2-methylanthracene-9,10-dione|1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione|1-Amino-2-methylanthra-9,10-quinone|Disperse Orange 11|分散橙 11|1-Amino-2-methylanthraquinone|1-...

General Information

Structure

Molecular Formula

C₁₅H₁₁NO₂

Molecular Mass

237.25334

Exact Mass

237.0789786

Charge

InChI

InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3

InChIKey

ZLCUIOWQYBYEBG-UHFFFAOYSA-N

Canonic Smiles

O=C1c2ccccc2C(=O)c2c1ccc(c2N)C

Isomeric Smiles

c1cc2c(cc1)C(=O)c1c(C2=O)ccc(c1N)C

Calculated Properties

JChem

Acid pKa

19.666624

H Acceptors

H Donor

LogD (pH = 5.5)

3.253158

LogD (pH = 7.4)

3.253201

Log P

3.2532015

Molar Refractivity

70.8926

Polarizability

26.209385

Polar Surface Area

60.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-amino-2-methylanthracene-9,10-dione

IUPAC name

1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione

Synonyms

1-Amino-2-methylanthra-9,10-quinoneDisperse Orange 11分散橙 111-Amino-2-methylanthraquinone1-氨基-2-甲基蒽醌1-amino-2-methylanthracene-9,10-dione

Names and Identifiers

Registration numbers

EC Number

201-408-3

PubChem SID

2486690316206315424852992

MDL Number

PubChem CID

Color Index Number

CAS Number

Registration numbers

Properties

Product Information

≥96.0% (HPLC)

analytical standard

C15H11NO2

Dye content, 95%

Physical Property

204-206 °C(lit.)

λmax 486 nm

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

1-amino-2-methylanthracene-9,10-dione

IUPAC name

1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione

Synonyms

1-Amino-2-methylanthra-9,10-quinoneDisperse Orange 11分散橙 111-Amino-2-methylanthraquinone1-氨基-2-甲基蒽醌1-amino-2-methylanthracene-9,10-dione

Registration numbers

EC Number

201-408-3

PubChem SID

2486690316206315424852992

MDL Number

PubChem CID

Color Index Number

CAS Number

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Product Information

≥96.0% (HPLC)

analytical standard

C15H11NO2

Dye content, 95%

Physical Property

204-206 °C(lit.)

λmax 486 nm

Molecule

ID:58391